Information card for entry 4324328

Structure parameters

• Formula: C9 H10 Cu I N O2 S
• Calculated formula: C9 H10 Cu I N O2 S
• Title of publication: Copper(I) Coordination Polymers of N,N'-Bis[3-(methylthio)propyl]pyromellitic Diimide: Crystal Transformation and Solvatochromism by Halogen-π Interactions
• Authors of publication: Garam Park; Hojin Yang; Tae Ho Kim; Jineun Kim
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 961 - 968
• a: 4.452 ± 0.0004 Å
• b: 10.5759 ± 0.0009 Å
• c: 12.237 ± 0.0011 Å
• α: 100.148 ± 0.001°
• β: 92.69 ± 0.001°
• γ: 96.826 ± 0.001°
• Cell volume: 561.77 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No